Merge 80ddc4a into 249d2da

.pylintdict

@@ -51,6 +51,7 @@ bergholm
 berlin
 bitstring
 bksf
+bo
 bogoliubov
 bohr
 boltzmann
@@ -442,6 +443,7 @@ posteriori
 pqrs
 pre
 prebuilt
+prefactor
 prepend
 prepended
 preprint

qiskit_nature/second_q/mappers/__init__.py

@@ -58,6 +58,7 @@
    :nosignatures:
 
    BosonicLinearMapper
+   BosonicLogarithmicMapper
 
 VibrationalOp Mappers
 +++++++++++++++++++++
@@ -99,6 +100,7 @@
 from .parity_mapper import ParityMapper
 from .linear_mapper import LinearMapper
 from .bosonic_linear_mapper import BosonicLinearMapper
+from .bosonic_logarithmic_mapper import BosonicLogarithmicMapper
 from .logarithmic_mapper import LogarithmicMapper
 from .direct_mapper import DirectMapper
 from .qubit_mapper import QubitMapper
@@ -114,6 +116,7 @@
     "ParityMapper",
     "LinearMapper",
     "BosonicLinearMapper",
+    "BosonicLogarithmicMapper",
     "LogarithmicMapper",
     "QubitMapper",
     "InterleavedQubitMapper",

qiskit_nature/second_q/mappers/bosonic_linear_mapper.py

@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2023.
+# (C) Copyright IBM 2023, 2024.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -85,7 +85,7 @@ class BosonicLinearMapper(BosonicMapper):
     def _map_single(
         self, second_q_op: BosonicOp, *, register_length: int | None = None
     ) -> SparsePauliOp:
-        """Maps a :class:`~qiskit_nature.second_q.operators.SparseLabelOp` to a``SparsePauliOp``.
+        """Maps a :class:`~qiskit_nature.second_q.operators.SparseLabelOp` to a ``SparsePauliOp``.
 
         Args:
             second_q_op: the ``SparseLabelOp`` to be mapped.
@@ -108,7 +108,10 @@ def _map_single(
             bos_op_to_pauli_op = SparsePauliOp(["I" * qubit_register_length], coeffs=[1.0])
             for op, idx in terms:
                 if op not in ("+", "-"):
-                    break
+                    raise ValueError(
+                        f"Invalid bosonic operator: `{op}_{idx}`."
+                        + "All bosonic operators must have the following shape: `+_k` or `-_k`."
+                    )
                 pauli_expansion: list[SparsePauliOp] = []
                 # Now we are dealing with a single bosonic operator. We have to perform the linear mapper
                 for n_k in range(self.max_occupation):

qiskit_nature/second_q/mappers/bosonic_logarithmic_mapper.py

@@ -0,0 +1,238 @@
+# This code is part of a Qiskit project.
+#
+# (C) Copyright IBM 2024.
+#
+# This code is licensed under the Apache License, Version 2.0. You may
+# obtain a copy of this license in the LICENSE.txt file in the root directory
+# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
+#
+# Any modifications or derivative works of this code must retain this
+# copyright notice, and modified files need to carry a notice indicating
+# that they have been altered from the originals.
+
+"""The Logarithmic Mapper for Bosons."""
+
+from __future__ import annotations
+import operator
+import math
+import logging
+
+from functools import reduce, lru_cache
+
+import numpy as np
+
+from qiskit.quantum_info import SparsePauliOp
+
+from qiskit_nature.second_q.operators import BosonicOp
+from .bosonic_mapper import BosonicMapper
+
+logger = logging.getLogger(__name__)
+
+
+class BosonicLogarithmicMapper(BosonicMapper):
+    """The Logarithmic boson-to-qubit Mapper.
+
+    This mapper generates a logarithmic encoding of the Bosonic operator :math:`b_k^\\dagger, b_k` to
+    qubit operators (linear combinations of pauli strings).
+    In this logarithmic encoding the number of qubits necessary to represent a bosonic mode is
+    determined by the max occupation :math:`n_k^{max}` of the mode (meaning the number of states used
+    in the expansion of the mode, or equivalently the state at which the maximum excitation can take
+    place). The number of qubits is given by:
+    :math:`\\lceil\\log_2(n_k^{max} + 1)\\rceil`.
+
+    .. note::
+        A consequence of the rounding up for determining the number of required qubits is that the
+        actual max occupation is often larger than the one selected by the user. For example, if the
+        user selects :math:`n_k^{max} = 2`, then the number of required qubits is
+        :math:`\\lceil\\log_2(3)\\rceil = 2`. If we now compute the max occupation for 2 qubits, we
+        get :math:`2^2 - 1 = 3`, which is larger than the user-selected max occupation. The user should
+        expect that the actual max occupation is always larger than or equal to the one selected.
+        If the code changes the max occupation, a warning will appear in the logs.
+
+    The mode :math:`|k\\rangle` is then mapped to the occupation number vector
+    :math:`|0_{n_k^{max}}, 0_{n_k^{max} - 1},..., 0_{n_k + 1}, 1_{n_k}, 0_{n_k - 1},..., 0_{0_k}\\rangle`
+
+    This class implements the equation (34) and (35) of Reference [1].
+
+    .. math::
+        b_k^\\dagger = \\sum_{n_k = 0}^{2^{N_q}-2}\\left(\\sqrt{n_k + 1}|n+1\\rangle\\langle n|\\right)
+
+        b_k = \\sum_{n_k = 1}^{2^{N_q}-1}\\left(\\sqrt{n_k}|n-1\\rangle\\langle n|\\right)
+
+    where :math:`N_q` is the number of qubits used to represent each mode
+    (given by :math:`\\lceil\\log_2(n_k^{max} + 1)\\rceil`). This implementation first computes each
+    :math:`|n+1\\rangle\\langle n|` and :math:`|n-1\\rangle\\langle n|` in a binary representation
+    and then uses equation (37) from Reference [1] to map to the Pauli operators.
+
+    The length of the qubit register is:
+
+    .. code-block:: python
+
+        BosonicOp.num_modes * math.ceil(numpy.log2(BosonicLogarithmicMapper.max_occupation + 1))
+
+    Below is an example of how one can use this mapper:
+
+    .. code-block:: python
+
+        from qiskit_nature.second_q.mappers import BosonicLogarithmicMapper
+        from qiskit_nature.second_q.operators import BosonicOp
+
+        mapper = BosonicLogarithmicMapper(max_occupation=2)
+        qubit_op = mapper.map(BosonicOp({'+_0 -_0': 1}, num_modes=1))
+
+    .. note::
+        Since this mapper truncates the maximum occupation of a bosonic state as represented in the
+        qubit register, the commutation relations after the mapping differ from the standard ones.
+        Please refer to Section 4, equation 22 of Reference [2] for more details.
+
+    References:
+        [1] Bo Peng et al., Quantum Simulation of Boson-Related Hamiltonians: Techniques, Effective
+        Hamiltonian Construction, and Error Analysis, Arxiv https://doi.org/10.48550/arXiv.2307.06580
+
+        [2] R. Somma et al., Quantum Simulations of Physics Problems, Arxiv
+        https://doi.org/10.48550/arXiv.quant-ph/0304063
+    """
+
+    def __init__(self, max_occupation: int) -> None:
+        # Compute the actual max occupation from the one selected by the user
+        self.number_of_qubits_per_mode: int = (
+            1 if max_occupation == 0 else math.ceil(np.log2(max_occupation + 1))
+        )
+        max_calculated_occupation = 2**self.number_of_qubits_per_mode - 1
+        if max_occupation != max_calculated_occupation:
+            logger.warning(
+                f"The user requested a max occupation of {max_occupation}, but the actual "
+                + f"max occupation is {max_calculated_occupation}."
+            )
+        super().__init__(max_calculated_occupation)
+
+    @property
+    def number_of_qubits_per_mode(self) -> int:
+        """The minimum number of qubits required to represent a bosonic mode given a max occupation."""
+        return self._number_of_qubits_per_mode
+
+    @number_of_qubits_per_mode.setter
+    def number_of_qubits_per_mode(self, num_qubits: int) -> None:
+        if num_qubits < 1:
+            raise ValueError(f"The number of qubits must be at least 1, and not {num_qubits}.")
+        self._number_of_qubits_per_mode: int = num_qubits
+
+    def _map_single(
+        self, second_q_op: BosonicOp, *, register_length: int | None = None
+    ) -> SparsePauliOp:
+        """Maps a :class:`~qiskit_nature.second_q.operators.SparseLabelOp` to a ``SparsePauliOp``.
+
+        Args:
+            second_q_op: the ``SparseLabelOp`` to be mapped.
+            register_length: when provided, this will be used to overwrite the ``register_length``
+                attribute of the operator being mapped. This is possible because the
+                ``register_length`` is considered a lower bound in a ``SparseLabelOp``.
+
+        Returns:
+            The qubit operator corresponding to the problem-Hamiltonian in the qubit space.
+        """
+        if register_length is None:
+            register_length = second_q_op.num_modes
+
+        # The actual register length is the number of qubits per mode times the number of modes
+        qubit_register_length: int = register_length * self.number_of_qubits_per_mode
+        # Create a Pauli operator, which we will fill in this method
+        pauli_op: list[SparsePauliOp] = []
+        # Then we loop over all the terms of the bosonic operator
+        for terms, coeff in second_q_op.terms():
+            # Then loop over each term (terms -> List[Tuple[string, int]])
+            bos_op_to_pauli_op = SparsePauliOp(["I" * qubit_register_length], coeffs=[1.0])
+            # Loop over the operators in the term
+            for op, idx in terms:
+                if op not in ("+", "-"):
+                    raise ValueError(
+                        f"Invalid bosonic operator: `{op}_{idx}`."
+                        + "All bosonic operators must have the following shape: `+_k` or `-_k`."
+                    )
+                pauli_expansion: list[SparsePauliOp] = []
+                # Define the index of the mode in the qubit register
+                mode_index_in_register: int = idx * self.number_of_qubits_per_mode
+                # Now we start mapping the operator. First, define the range of the sum
+                terms_range = (
+                    range(2**self.number_of_qubits_per_mode - 1)
+                    if op == "+"
+                    else range(1, 2**self.number_of_qubits_per_mode)
+                )
+                for n in terms_range:
+                    # In each iteration we deal with a term of the form sqrt(n+1)*|n+1><n| or
+                    # sqrt(n)*|n-1><n|. The initial and final states are represented in binary.
+                    # Define the prefactor and the initial and final states (which results from the
+                    # action of the operator). They vary depending on the operator
+                    prefactor = np.sqrt(n + 1) if op == "+" else np.sqrt(n)
+                    final_state: str = (
+                        f"{(n + 1):0{self.number_of_qubits_per_mode}b}"
+                        if op == "+"
+                        else f"{(n - 1):0{self.number_of_qubits_per_mode}b}"
+                    )
+                    init_state: str = f"{n:0{self.number_of_qubits_per_mode}b}"
+                    # Now build the Pauli operators
+                    single_mapped_term = SparsePauliOp(["I" * qubit_register_length], coeffs=[1.0])
+                    # pylint: disable=consider-using-enumerate
+                    for j in range(len(init_state)):
+                        # We need to comply to the little endian notation of qiskit.
+                        # For the binary string representation of the state, the first element is the
+                        # most significant bit. Thus, it needs to be put to the end of the mode in the
+                        # qubit register.
+                        i: int = len(init_state) - j - 1
+                        # Get the Pauli operator for the single qubit of the term we are mapping and
+                        # compose it with the already mapped ones
+                        single_mapped_term = single_mapped_term.compose(
+                            self._get_single_qubit_pauli_matrix(
+                                mode_index_in_register + i,
+                                qubit_register_length,
+                                final_state[j] + init_state[j],
+                            )
+                        )
+                    pauli_expansion.append(prefactor * single_mapped_term)
+                # Add the Pauli expansion for a single n_k to map of the bosonic operator
+                bos_op_to_pauli_op = reduce(operator.add, pauli_expansion).compose(
+                    bos_op_to_pauli_op
+                )
+            # Add the map of the single boson op (e.g. +_0) to the map of the full bosonic operator
+            pauli_op.append(coeff * reduce(operator.add, bos_op_to_pauli_op.simplify()))
+        # return the lookup table for the transformed XYZI operators
+        return reduce(operator.add, pauli_op)
+
+    @lru_cache(maxsize=32)
+    def _get_single_qubit_pauli_matrix(
+        self, qubit_idx: int, register_length: int, qubit_operator: str
+    ) -> SparsePauliOp:
+        """This method builds the Qiskit Pauli operators of one of the operators:
+        I_+ = I + Z, I_- = I - Z, S_+ = X + iY and S_- = X - iY.
+
+        Args:
+            qubit_idx: the register index of the qubit on which the operator is acting.
+            register_length: the length of the qubit register.\n
+            qubit_operator: the operator to be mapped. Possible values are:
+            - '00', which corresponds to '|0><0|' or 'I+'
+            - '11', which corresponds to '|1><1|' or 'I-'
+            - '01', which corresponds to '|0><1|' or 'S+'
+            - '10', which corresponds to '|1><0|' or 'S-'
+
+        Returns:
+            A SparsePauliOp representing the Pauli operator.
+        """
+        if qubit_operator == "00":  # I+
+            return SparsePauliOp.from_sparse_list(
+                [("", [], 0.5), ("Z", [qubit_idx], 0.5)], num_qubits=register_length
+            )
+        if qubit_operator == "11":  # I-
+            return SparsePauliOp.from_sparse_list(
+                [("", [], 0.5), ("Z", [qubit_idx], -0.5)], num_qubits=register_length
+            )
+        if qubit_operator == "01":  # S+
+            return SparsePauliOp.from_sparse_list(
+                [("X", [qubit_idx], 0.5), ("Y", [qubit_idx], 0.5j)], num_qubits=register_length
+            )
+        if qubit_operator == "10":  # S-
+            return SparsePauliOp.from_sparse_list(
+                [("X", [qubit_idx], 0.5), ("Y", [qubit_idx], -0.5j)], num_qubits=register_length
+            )
+        raise ValueError(
+            f"Invalid operator {qubit_operator}. Possible values are '00', '11', '01' and '10'."
+        )

releasenotes/notes/bosonic-logarithmic-mapper-4b1f24c4ca16cf8b.yaml

@@ -0,0 +1,15 @@
+---
+features:
+  - |
+    This release introduces a new mapper for the :class:`.BosonicOp`, the :class:`.BosonicLogarithmicMapper`.
+    It is more efficient both in terms of the number of qubits required and, for some operations, in the number of Pauli strings generated due
+    to the binary encoding of the bosonic operator. For other operations, such as the hopping term
+    :math:`b^\dagger_i b_j`, the number of Pauli strings generated is bigger than the linear mapper.
+    This mapper is based on this `paper <https://doi.org/10.48550/arXiv.2307.06580>`_.
+    Below is an example of how one can use this mapper, assuming the existence of some :class:`.BosonicOp` instance called ``bos_op``:
+
+    .. code-block:: python
+
+      from qiskit_nature.second_q.mappers import BosonicLogarithmicMapper
+      mapper = BosonicLogarithmicMapper(max_occupation=2)
+      qubit_op = mapper.map(bos_op)